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Search term: ILNQEUAXRRQYEX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-(2-{Methyl[2-(4-morpholinyl)-2-oxoethyl]amino}-2-oxoethoxy)-5-(4-morpholinylsulfonyl)benzoic acid | C20H27N3O9S

2-(2-{Methyl[2-(4-morpholinyl)-2-oxoethyl]amino}-2-oxoethoxy)-5-(4-morpholinylsulfonyl)benzoic acid

  • Molecular FormulaC20H27N3O9S
  • Average mass485.508 Da
  • Monoisotopic mass485.146790 Da
  • ChemSpider ID24368700

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-(2-{Methyl[2-(4-morpholinyl)-2-oxoethyl]amino}-2-oxoethoxy)-5-(4-morpholinylsulfonyl)benzoesäure [German] [ACD/IUPAC Name]
2-(2-{Methyl[2-(4-morpholinyl)-2-oxoethyl]amino}-2-oxoethoxy)-5-(4-morpholinylsulfonyl)benzoic acid [ACD/IUPAC Name]
Acide 2-(2-{méthyl[2-(4-morpholinyl)-2-oxoéthyl]amino}-2-oxoéthoxy)-5-(4-morpholinylsulfonyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[2-[methyl[2-(4-morpholinyl)-2-oxoethyl]amino]-2-oxoethoxy]-5-(4-morpholinylsulfonyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 769.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.5±3.0 kJ/mol
Flash Point: 419.1±35.7 °C
Index of Refraction: 1.590
Molar Refractivity: 115.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.40
ACD/LogD (pH 5.5): -2.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 341.0±3.0 cm3

Click to predict properties on the Chemicalize site


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